(E)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]but-2-enamide

Systemtic Name: (E)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]but-2-enamide Openeye Name: (E)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]but-2-enamide CAS Name: (E)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2-butenamide IUPAC Name: (E)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]but-2-enamide Traditional Name: (E)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]but-2-enamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2

Isomeric SMILES

C/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2

InChI

InChI=1S/C16H21N3O3S/c1-2-6-16(20)18-13-8-10-14(11-9-13)23(21,22)19-15-7-4-3-5-12-17-15/h2,6,8-11H,3-5,7,12H2,1H3,(H,17,19)(H,18,20)/b6-2+